N-(3-methylphenyl)-2-(3-oxidanylidene-3-piperazin-1-yl-propyl)sulfanyl-ethanamide

Systemtic Name: N-(3-methylphenyl)-2-(3-oxidanylidene-3-piperazin-1-yl-propyl)sulfanyl-ethanamide Openeye Name: N-(m-tolyl)-2-(3-oxo-3-piperazin-1-yl-propyl)sulfanyl-acetamide CAS Name: N-(3-methylphenyl)-2-[[3-oxo-3-(1-piperazinyl)propyl]thio]acetamide IUPAC Name: N-(3-methylphenyl)-2-(3-oxo-3-piperazin-1-ylpropyl)sulfanylacetamide Traditional Name: 2-[(3-keto-3-piperazino-propyl)thio]-N-(m-tolyl)acetamide Formula: C16H23N3O2S MolecularWeight: 321.43772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCCC(=O)N2CCNCC2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCCC(=O)N2CCNCC2

InChI

InChI=1S/C16H23N3O2S/c1-13-3-2-4-14(11-13)18-15(20)12-22-10-5-16(21)19-8-6-17-7-9-19/h2-4,11,17H,5-10,12H2,1H3,(H,18,20)